Concentration Dependences of Dielectric Parameters of Impurity-Doped K2SO4 Crystals
DOI:
https://doi.org/10.15407/ujpe67.4.284Keywords:
crystal, impurity, refractive index, birefringence, unit cell, energy band structure, forbidden gapAbstract
The influence of a copper impurity with various concentrations on the unit cell parameters, band-energy structure, and refractive characteristics of potassium sulfate crystals has been studied. The unit-cell parameters and volume of impurity-doped crystals are found to increase almost linearly with the growth of the impurity content. At the same time, the refractive indices ni (i = x, y, z) of doped crystals slightly decrease (by about 2.5 × 10−3), but the relations nz > nx > ny and dnz /dλ > dnx/dλ > dny /dλ between them remain unchanged. The energy band structure of crystals with a copper content of 1.7% is calculated. It is found that the forbidden gap decreases, as the impurity concentration increases. Five localized levels corresponding to d-electron states of Cu2+ impurity ions are identified in the band gap. It is established that the top of the valence band is formed by the oxygen p-states, and the bottom of the conduction band by the 3s- and 4s-states of the sulfur and potassium atoms. The localized 4s-states of copper atoms are located at the bottom of the conduction band. The concentration dependences of the density and ionic radius are analyzed.
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